4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide

C30H24N4O2 — CID 46320741

IUPAC4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide
SMILESCc1ccc(-c2ccc(Nc3ccc(C(=O)Nc4ccc(Oc5ccccc5)cc4)cc3)nn2)cc1
InChIInChI=1S/C30H24N4O2/c1-21-7-9-22(10-8-21)28-19-20-29(34-33-28)31-24-13-11-23(12-14-24)30(35)32-25-15-17-27(18-16-25)36-26-5-3-2-4-6-26/h2-20H,1H3,(H,31,34)(H,32,35)
InChIKeyUCELCWPVTAQWOK-UHFFFAOYSA-N
MW472.55 g/mol
LogP7.24
Rot. Bonds7

About 4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide

4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide (PubChem CID 46320741) has the molecular formula C30H24N4O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide
PubChem CID46320741
Molecular FormulaC30H24N4O2
Molecular Weight472.55 g/mol
Exact Mass472.19
IUPAC Name4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide
SMILESCc1ccc(-c2ccc(Nc3ccc(C(=O)Nc4ccc(Oc5ccccc5)cc4)cc3)nn2)cc1
InChIInChI=1S/C30H24N4O2/c1-21-7-9-22(10-8-21)28-19-20-29(34-33-28)31-24-13-11-23(12-14-24)30(35)32-25-15-17-27(18-16-25)36-26-5-3-2-4-6-26/h2-20H,1H3,(H,31,34)(H,32,35)
InChIKeyUCELCWPVTAQWOK-UHFFFAOYSA-N
XLogP7.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-4-phenoxybenzamide
CID 122296113
N-(2,4-dimethoxyphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50777051
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-phenoxybenzamide
CID 121046362
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-[6-(4-phenoxyanilino)-3-pyridinyl]benzamide
CID 113021208
N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50776985
N-[2-(2-methoxyphenoxy)ethyl]-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320745
N-(4-methoxyphenyl)-4-(4-methylphenoxy)benzamide
CID 16651033
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide
CID 113049889
N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320738
N-(3,5-dimethylphenyl)-4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]benzamide
CID 46320760

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide (CID 46320741) is 4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide is Cc1ccc(-c2ccc(Nc3ccc(C(=O)Nc4ccc(Oc5ccccc5)cc4)cc3)nn2)cc1.
What is the InChIKey of 4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide?
The InChIKey is UCELCWPVTAQWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O2/c1-21-7-9-22(10-8-21)28-19-20-29(34-33-28)31-24-13-11-23(12-14-24)30(35)32-25-15-17-27(18-16-25)36-26-5-3-2-4-6-26/h2-20H,1H3,(H,31,34)(H,32,35).
What are the key properties of 4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide?
4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide has a molecular weight of 472.55 g/mol, XLogP of 7.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 46320741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).